In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/20:4(5Z,8Z,12E,14Z)(11OH[S]))
Systematic Name
1-pentadecanoyl-2-(11S-HETE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AMI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
785.484302
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
OAVSVFGZSDOSBN-RGMZRARFSA-N
InChi (Click to copy)
InChI=1S/C41H72NO11P/c1-3-5-7-9-11-12-13-14-15-19-23-27-31-39(44)50-33-37(34-51-54(48,49)52-35-38(42)41(46)47)53-40(45)32-28-24-20-16-18-22-26-30-36(43)29-25-21-17-10-8-6-4-2/h16-17,20-22,25-26,29,36-38,43H,3-15,18-19,23-24,27-28,30-35,42H2,1-2H3,(H,46,47)(H,48,49)/b20-16-,21-17-,26-22-,29-25+/t36-,37-,38+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C[C@H](O)/C=C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O